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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O2
Molecular Weight 326.4724
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-HYDROXYDESOGESTREL

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]3([H])[C@@]4([H])CC[C@H](O)C=C4CC[C@@]23[H]

InChI

InChIKey=ZMLDTNLDYRJTAZ-GDLCRWSOSA-N
InChI=1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16-,17-,18-,19-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3.BETA.-HYDROXYDESOGESTREL
Common Name English
18,19-DINORPREGN-4-EN-20-YNE-3,17-DIOL, 13-ETHYL-11-METHYLENE-, (3.BETA.,17.ALPHA.)-
Common Name English
DESOGESTREL IMPURITY E [EP IMPURITY]
Common Name English
13-ETHYL-11-METHYLIDENE-18,19-DINOR-17.ALPHA.-PREGN-4-EN-20-YNE-3.BETA.,17-DIOL
Common Name English
DESOGESTREL IMPURITY E
EP  
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40221070
Created by admin on Sat Dec 16 04:40:55 GMT 2023 , Edited by admin on Sat Dec 16 04:40:55 GMT 2023
PRIMARY
FDA UNII
G08T10WRV0
Created by admin on Sat Dec 16 04:40:55 GMT 2023 , Edited by admin on Sat Dec 16 04:40:55 GMT 2023
PRIMARY
PUBCHEM
9858547
Created by admin on Sat Dec 16 04:40:55 GMT 2023 , Edited by admin on Sat Dec 16 04:40:55 GMT 2023
PRIMARY
CAS
70805-85-5
Created by admin on Sat Dec 16 04:40:55 GMT 2023 , Edited by admin on Sat Dec 16 04:40:55 GMT 2023
PRIMARY